../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Si A2B_cF408_227_efgh_aeg a x2 x3 x4 x5 z5 x6 z6 y7 standard 1 20.0107 0.82889069 0.78273951 0.87602924 0.45066568 0.7056959 0.81751496 0.62920578 0.84263958 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000